1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide

C19H29N3O — CID 175941734

IUPAC1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(CN3CCC(C(N)=O)CC3)C2)cc1
InChIInChI=1S/C19H29N3O/c1-15-2-4-16(5-3-15)12-22-9-6-17(14-22)13-21-10-7-18(8-11-21)19(20)23/h2-5,17-18H,6-14H2,1H3,(H2,20,23)
InChIKeyHHGZBQZZNAVCTC-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.01
Rot. Bonds5

About 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide

1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 175941734) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID175941734
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(CN3CCC(C(N)=O)CC3)C2)cc1
InChIInChI=1S/C19H29N3O/c1-15-2-4-16(5-3-15)12-22-9-6-17(14-22)13-21-10-7-18(8-11-21)19(20)23/h2-5,17-18H,6-14H2,1H3,(H2,20,23)
InChIKeyHHGZBQZZNAVCTC-UHFFFAOYSA-N
XLogP2.01
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]butan-2-one
CID 83980859
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
sodium 4-[(4-carbamoylpiperidin-1-yl)methyl]phenolate
CID 57448397
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980821

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (CID 175941734) is 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(CN3CCC(C(N)=O)CC3)C2)cc1.
What is the InChIKey of 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is HHGZBQZZNAVCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15-2-4-16(5-3-15)12-22-9-6-17(14-22)13-21-10-7-18(8-11-21)19(20)23/h2-5,17-18H,6-14H2,1H3,(H2,20,23).
What are the key properties of 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 175941734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).