[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

C19H29N5O3 — CID 120920826

IUPAC[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C19H29N5O3/c1-22-12-15(9-21-22)16-10-20-11-17(16)19(26)24-4-2-3-14(13-24)18(25)23-5-7-27-8-6-23/h9,12,14,16-17,20H,2-8,10-11,13H2,1H3/t14?,16-,17+/m1/s1
InChIKeyRIUKSAWTRLKSRB-XMKPYSNPSA-N
MW375.47 g/mol
LogP-0.18
Rot. Bonds3

About [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 120920826) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID120920826
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C19H29N5O3/c1-22-12-15(9-21-22)16-10-20-11-17(16)19(26)24-4-2-3-14(13-24)18(25)23-5-7-27-8-6-23/h9,12,14,16-17,20H,2-8,10-11,13H2,1H3/t14?,16-,17+/m1/s1
InChIKeyRIUKSAWTRLKSRB-XMKPYSNPSA-N
XLogP-0.18
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 120920826) is [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is Cn1cc([C@H]2CNC[C@@H]2C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RIUKSAWTRLKSRB-XMKPYSNPSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-22-12-15(9-21-22)16-10-20-11-17(16)19(26)24-4-2-3-14(13-24)18(25)23-5-7-27-8-6-23/h9,12,14,16-17,20H,2-8,10-11,13H2,1H3/t14?,16-,17+/m1/s1.
What are the key properties of [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 375.47 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120920826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).