(2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide

C25H27Cl2N5O — CID 134821714

IUPAC(2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide
SMILESN[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)NC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H27Cl2N5O/c26-17-2-4-23-21(10-17)16(13-29-23)14-32-7-5-19(6-8-32)31-25(33)22(28)9-15-12-30-24-11-18(27)1-3-20(15)24/h1-4,10-13,19,22,29-30H,5-9,14,28H2,(H,31,33)/t22-/m0/s1
InChIKeyAQHKBYHDRXLQLW-QFIPXVFZSA-N
MW484.43 g/mol
LogP4.61
Rot. Bonds6

About (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide

(2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 134821714) has the molecular formula C25H27Cl2N5O and a molecular weight of 484.43 g/mol. Its IUPAC name is (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide
PubChem CID134821714
Molecular FormulaC25H27Cl2N5O
Molecular Weight484.43 g/mol
Exact Mass483.16
IUPAC Name(2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide
SMILESN[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)NC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H27Cl2N5O/c26-17-2-4-23-21(10-17)16(13-29-23)14-32-7-5-19(6-8-32)31-25(33)22(28)9-15-12-30-24-11-18(27)1-3-20(15)24/h1-4,10-13,19,22,29-30H,5-9,14,28H2,(H,31,33)/t22-/m0/s1
InChIKeyAQHKBYHDRXLQLW-QFIPXVFZSA-N
XLogP4.61
TPSA89.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

Cipargamin
CID 44469321
Brevianamide F
CID 181567
Cyclo-(L-Trp-L-Trp)
CID 7091706
N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-3-(1H-indol-3-yl)propionamide
CID 11156598
N-[5-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-hexyl]-3-(1H-indol-3-yl)propionamide
CID 11249115
N-[8-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-octyl]-3-(1H-indol-3-yl)propionamide
CID 11249560
N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-2-(1H-indol-3-yl)acetamide
CID 11283475
N-[6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-hexyl]4-(1H-Indol-3-yl)-butyramide
CID 11341331
N-[5-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-pentyl]-4-(1H-indol-3-yl)butyramide
CID 11432076
7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]heptanamide
CID 11706508
c[L-Ala-D-pro-L-Phe-D-trp]
CID 44583393
Gsk983
CID 11416123

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide (CID 134821714) is (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide is N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)NC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is AQHKBYHDRXLQLW-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27Cl2N5O/c26-17-2-4-23-21(10-17)16(13-29-23)14-32-7-5-19(6-8-32)31-25(33)22(28)9-15-12-30-24-11-18(27)1-3-20(15)24/h1-4,10-13,19,22,29-30H,5-9,14,28H2,(H,31,33)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide?
(2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 484.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 134821714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).