[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C17H28N4O3 — CID 72871399

IUPAC[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cn1
InChIInChI=1S/C17H28N4O3/c1-19-12-15(11-18-19)17(23)21-5-4-16(14(13-21)3-2-8-22)20-6-9-24-10-7-20/h11-12,14,16,22H,2-10,13H2,1H3/t14-,16+/m1/s1
InChIKeyUGJWKRLVTVCMDJ-ZBFHGGJFSA-N
MW336.44 g/mol
LogP0.36
Rot. Bonds5

About [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 72871399) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID72871399
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cn1
InChIInChI=1S/C17H28N4O3/c1-19-12-15(11-18-19)17(23)21-5-4-16(14(13-21)3-2-8-22)20-6-9-24-10-7-20/h11-12,14,16,22H,2-10,13H2,1H3/t14-,16+/m1/s1
InChIKeyUGJWKRLVTVCMDJ-ZBFHGGJFSA-N
XLogP0.36
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone with MolForge

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Related Compounds

3-{(3R*,4S*)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-4-morpholin-4-ylpiperidin-3-yl}propanoic acid
CID 72904151
(3R*,4R*)-3-methyl-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72919069
[3-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-9-(tetrahydro-2H-pyran-4-yl)-3,9-diazaspiro[5.5]undec-1-yl]methanol
CID 74239848
[(3S*,5R*)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72903893
9-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72932265
[1-(Difluoromethyl)pyrazol-4-yl]-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]methanone
CID 138012583
[1-(Cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155830315
[2-(Cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155847679
[1-(Oxan-2-ylmethyl)pyrazol-4-yl]-[3-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone
CID 167808955
(3R*,4R*)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-ol
CID 70753146
3-{(3R*,4S*)-4-(4-methylpiperazin-1-yl)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}propan-1-ol
CID 72902871
[4-(Hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 91921799

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 72871399) is [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cn1.
What is the InChIKey of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is UGJWKRLVTVCMDJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-19-12-15(11-18-19)17(23)21-5-4-16(14(13-21)3-2-8-22)20-6-9-24-10-7-20/h11-12,14,16,22H,2-10,13H2,1H3/t14-,16+/m1/s1.
What are the key properties of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 72871399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).