4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide

C19H29N3O2 — CID 125443318

IUPAC4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-15(21-9-2-3-10-21)14-20-19(24)22-11-7-16(8-12-22)17-5-4-6-18(23)13-17/h4-6,13,15-16,23H,2-3,7-12,14H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyPNHZFLGJBZJNTJ-OAHLLOKOSA-N
MW331.46 g/mol
LogP2.77
Rot. Bonds4

About 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide

4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide (PubChem CID 125443318) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide
PubChem CID125443318
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-15(21-9-2-3-10-21)14-20-19(24)22-11-7-16(8-12-22)17-5-4-6-18(23)13-17/h4-6,13,15-16,23H,2-3,7-12,14H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyPNHZFLGJBZJNTJ-OAHLLOKOSA-N
XLogP2.77
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 78834618
3-(1-propan-2-ylazepan-4-yl)phenol
CID 143519435
4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide
CID 122557396
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide
CID 126446556
3-methyl-4-[(3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 81066848
4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide
CID 52510961
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111722735
[4-(3-hydroxyphenyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70774589
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide (CID 125443318) is 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide is C[C@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)N1CCCC1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide?
The InChIKey is PNHZFLGJBZJNTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(21-9-2-3-10-21)14-20-19(24)22-11-7-16(8-12-22)17-5-4-6-18(23)13-17/h4-6,13,15-16,23H,2-3,7-12,14H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide?
4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 125443318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).