[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C22H28N4O2 — CID 135105421

IUPAC[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1NC1CCN(Cc2cccc(O)c2)CC1)N1CCCC1
InChIInChI=1S/C22H28N4O2/c27-19-6-3-5-17(15-19)16-25-13-8-18(9-14-25)24-21-20(7-4-10-23-21)22(28)26-11-1-2-12-26/h3-7,10,15,18,27H,1-2,8-9,11-14,16H2,(H,23,24)
InChIKeyNJQFMVQODMTMFP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.10
Rot. Bonds5

About [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 135105421) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID135105421
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1NC1CCN(Cc2cccc(O)c2)CC1)N1CCCC1
InChIInChI=1S/C22H28N4O2/c27-19-6-3-5-17(15-19)16-25-13-8-18(9-14-25)24-21-20(7-4-10-23-21)22(28)26-11-1-2-12-26/h3-7,10,15,18,27H,1-2,8-9,11-14,16H2,(H,23,24)
InChIKeyNJQFMVQODMTMFP-UHFFFAOYSA-N
XLogP3.10
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352908
2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099
3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086074
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 71495429
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
2-cyclopropyl-1-[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 138806824
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
[2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone
CID 155950757
[6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134707525
1-[(3-chlorophenyl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 45017648

Frequently Asked Questions

What is the IUPAC name of [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 135105421) is [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cccnc1NC1CCN(Cc2cccc(O)c2)CC1)N1CCCC1.
What is the InChIKey of [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is NJQFMVQODMTMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-19-6-3-5-17(15-19)16-25-13-8-18(9-14-25)24-21-20(7-4-10-23-21)22(28)26-11-1-2-12-26/h3-7,10,15,18,27H,1-2,8-9,11-14,16H2,(H,23,24).
What are the key properties of [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 380.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135105421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).