4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide

C18H21ClN4O3 — CID 99638467

IUPAC4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide
SMILESCOc1ncncc1NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN4O3/c1-26-17-15(10-20-11-21-17)22-18(25)23-8-6-13(7-9-23)16(24)12-2-4-14(19)5-3-12/h2-5,10-11,13,16,24H,6-9H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyRKTLDCSUFKKLOP-INIZCTEOSA-N
MW376.84 g/mol
LogP3.12
Rot. Bonds4

About 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide

4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 99638467) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID99638467
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide
SMILESCOc1ncncc1NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN4O3/c1-26-17-15(10-20-11-21-17)22-18(25)23-8-6-13(7-9-23)16(24)12-2-4-14(19)5-3-12/h2-5,10-11,13,16,24H,6-9H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyRKTLDCSUFKKLOP-INIZCTEOSA-N
XLogP3.12
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide
CID 154798925
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110884355
4-[(4-chlorophenyl)-hydroxymethyl]-N-prop-2-ynylpiperidine-1-carboxamide
CID 111111196
N-(4-methoxypyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71917832
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283
N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55698903
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 111112247
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 56785827
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 111434266

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide (CID 99638467) is 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide is COc1ncncc1NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is RKTLDCSUFKKLOP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-26-17-15(10-20-11-21-17)22-18(25)23-8-6-13(7-9-23)16(24)12-2-4-14(19)5-3-12/h2-5,10-11,13,16,24H,6-9H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide?
4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99638467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).