N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine

C21H28ClN3O — CID 171359941

IUPACN-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine
SMILESClc1cccc(N2CC[C@H](CNC3CCN(Cc4ccco4)CC3)C2)c1
InChIInChI=1S/C21H28ClN3O/c22-18-3-1-4-20(13-18)25-11-6-17(15-25)14-23-19-7-9-24(10-8-19)16-21-5-2-12-26-21/h1-5,12-13,17,19,23H,6-11,14-16H2/t17-/m1/s1
InChIKeyUTCNSYZXYNKSPF-QGZVFWFLSA-N
MW373.93 g/mol
LogP4.01
Rot. Bonds6

About N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine

N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine (PubChem CID 171359941) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine
PubChem CID171359941
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC NameN-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine
SMILESClc1cccc(N2CC[C@H](CNC3CCN(Cc4ccco4)CC3)C2)c1
InChIInChI=1S/C21H28ClN3O/c22-18-3-1-4-20(13-18)25-11-6-17(15-25)14-23-19-7-9-24(10-8-19)16-21-5-2-12-26-21/h1-5,12-13,17,19,23H,6-11,14-16H2/t17-/m1/s1
InChIKeyUTCNSYZXYNKSPF-QGZVFWFLSA-N
XLogP4.01
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine with MolForge

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Related Compounds

5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 45232312
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 83468968
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
CID 94809660
1-(furan-2-ylmethyl)-3-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95149324
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 109463340
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382297
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110057228
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 62513614
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
2-methyl-5-[3-[[(1-phenylpiperidin-4-yl)amino]methyl]pyrrolidin-1-yl]pyridazin-3-one
CID 45252002
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine (CID 171359941) is N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine is Clc1cccc(N2CC[C@H](CNC3CCN(Cc4ccco4)CC3)C2)c1.
What is the InChIKey of N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine?
The InChIKey is UTCNSYZXYNKSPF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28ClN3O/c22-18-3-1-4-20(13-18)25-11-6-17(15-25)14-23-19-7-9-24(10-8-19)16-21-5-2-12-26-21/h1-5,12-13,17,19,23H,6-11,14-16H2/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine?
N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine has a molecular weight of 373.93 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 171359941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).