(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide

C19H29N3O3 — CID 98763526

IUPAC(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCOc1cccc(N2CC[C@H](CNC(=O)N3CCC[C@@H](CO)C3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-25-18-6-2-5-17(10-18)21-9-7-15(12-21)11-20-19(24)22-8-3-4-16(13-22)14-23/h2,5-6,10,15-16,23H,3-4,7-9,11-14H2,1H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyDPSXADAYLPETDV-HZPDHXFCSA-N
MW347.46 g/mol
LogP1.94
Rot. Bonds5

About (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide (PubChem CID 98763526) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
PubChem CID98763526
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCOc1cccc(N2CC[C@H](CNC(=O)N3CCC[C@@H](CO)C3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-25-18-6-2-5-17(10-18)21-9-7-15(12-21)11-20-19(24)22-8-3-4-16(13-22)14-23/h2,5-6,10,15-16,23H,3-4,7-9,11-14H2,1H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyDPSXADAYLPETDV-HZPDHXFCSA-N
XLogP1.94
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 95157214
3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 94821491
(2S)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 122081483
1-amino-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119871042
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95285621
3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122000111
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
1-(4-hydroxycyclohexyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300487
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 120645829
(2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119870988

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide (CID 98763526) is (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide is COc1cccc(N2CC[C@H](CNC(=O)N3CCC[C@@H](CO)C3)C2)c1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide?
The InChIKey is DPSXADAYLPETDV-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-25-18-6-2-5-17(10-18)21-9-7-15(12-21)11-20-19(24)22-8-3-4-16(13-22)14-23/h2,5-6,10,15-16,23H,3-4,7-9,11-14H2,1H3,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 98763526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).